(3,4,5,16,17,18,21,22,23,36,37,38-Dodecahydroxy-8,13,26,34-tetraoxo-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,31.011,28.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-29-yl) 2-[2,3-dihydroxy-5-[(3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (3,4,5,16,17,18,21,22,23,36,37,38-Dodecahydroxy-8,13,26,34-tetraoxo-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,31.011,28.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-29-yl) 2-[2,3-dihydroxy-5-[(3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoate
• 英文别名: (3,4,5,16,17,18,21,22,23,36,37,38-dodecahydroxy-8,13,26,34-tetraoxo-9,12,27,30,33-pentaoxaheptacyclo[33.3.1.02,7.010,31.011,28.014,19.020,25]nonatriaconta-1(39),2,4,6,14,16,18,20,22,24,35,37-dodecaen-29-yl) 2-[2,3-dihydroxy-5-[(3,4,5,11,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoate
• 化学式: C₆₈H₄₈O₄₄
• 分子量: 1569.1
• InChiKey: WGAQXNCWVUUVDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  112
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  744
• 氢给体数：
  25
• 氢受体数：
  44